[(E)-1-chloro-4-phenylbut-1-enyl]benzene

C16H15Cl — CID 22020271

IUPAC[(E)-1-chloro-4-phenylbut-1-enyl]benzene
SMILESCl/C(=C/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15Cl/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2/b16-13+
InChIKeyCCQZHVXVWGOQTB-DTQAZKPQSA-N
MW242.75 g/mol
LogP4.90
Rot. Bonds4

About [(E)-1-chloro-4-phenylbut-1-enyl]benzene

[(E)-1-chloro-4-phenylbut-1-enyl]benzene (PubChem CID 22020271) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is [(E)-1-chloro-4-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-1-chloro-4-phenylbut-1-enyl]benzene
PubChem CID22020271
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name[(E)-1-chloro-4-phenylbut-1-enyl]benzene
SMILESCl/C(=C/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15Cl/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2/b16-13+
InChIKeyCCQZHVXVWGOQTB-DTQAZKPQSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(Z)-4-chloro-1-phenyltridec-3-en-5-ol
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methyl (E)-2,5-diphenylpent-2-enoate
CID 24795397
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
CID 2307241
[(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene
CID 16664377
[(Z)-4-bromohex-3-en-5-ynyl]benzene
CID 101059609
2-(hydroxymethyl)-5-phenylpent-2-enoic acid
CID 70470886
[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830

Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloro-4-phenylbut-1-enyl]benzene?
The IUPAC name of [(E)-1-chloro-4-phenylbut-1-enyl]benzene (CID 22020271) is [(E)-1-chloro-4-phenylbut-1-enyl]benzene.
What is the SMILES notation for [(E)-1-chloro-4-phenylbut-1-enyl]benzene?
The canonical SMILES for [(E)-1-chloro-4-phenylbut-1-enyl]benzene is Cl/C(=C/CCc1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-chloro-4-phenylbut-1-enyl]benzene?
The InChIKey is CCQZHVXVWGOQTB-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H15Cl/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2/b16-13+.
What are the key properties of [(E)-1-chloro-4-phenylbut-1-enyl]benzene?
[(E)-1-chloro-4-phenylbut-1-enyl]benzene has a molecular weight of 242.75 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloro-4-phenylbut-1-enyl]benzene is sourced from PubChem (CID 22020271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).